新的核心扩展[4]pyrroles和N-捐赠者扩展的二氧化:合成,离子结合和构造性研究
Soumya Mishra1, Monalisa Giri1, Vipin Kumar Mishra2
1Department of Chemistry, C. V. Raman Global University, Odisha, Bhubaneswar-752054, India. tguchhait@cgu-odisha.ac.in.
合成了新的基于二聚甲的受体,并研究了离子结合. 宏循环和非循环受体在离子相互作用时表现出明显的结合固态度和形状变化,受中位替代物的影响.
科学领域:
- 超分子化学 超分子化学
- 有机合成 有机合成
- 阳离子的识别方法
背景情况:
- 基于二氧化甲的受体在离子结合的超分子化学中至关重要.
- 了解受体结构和离子结合之间的关系对于设计选择性传感器和分离剂至关重要.
- 卡力克斯[4]pyrroles及其非循环对应物为开发新型宿主分子提供了多功能支架.
研究的目的:
- 为了合成新的基于二氧化甲的N-捐赠者扩展双脚受体和meso-(1,3) 修饰的扩展体[4]pyrroles.
- 为了研究这些受体在溶液中的离子结合特性和固基量学.
- 使用X射线晶体学和DFT计算,阐明离子识别的结构基础,包括构造变化.
主要方法:
- 通过曼尼赫反应合成基于二氧化甲的受体和[4]pyrroles.
- 离子结合研究使用紫外线对乙二的定位实验.
- 使用X射线晶体学和计算分析与密度函数理论 (DFT) 计算进行结构性表征.
主要成果:
- 合成的基于二氧化甲的受体 (2a-c) 和[4]pyrroles (3a-c).
- 阿扎马克罗环 (3c) 以1:1的比例与化物和氧化离子结合,而非循环受体 (2c) 以2:1的比例与阴离子结合 (HSO4-除外).
- X射线结构揭示了二质子化亚马马克环中的离子诱导的构造变化,其中偏好受中位替代物的影响.
结论:
- 合成的基于二氧化甲的受体表现出不同的离子结合行为和固态度.
- 在二氧化甲单元上的中位替代剂在决定受体构造和离子结合方面发挥着至关重要的作用.
- 该研究提供了对开发可适应形状的离子受体的设计原则的见解.
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